Home > Compound List > Compound details
1377829-50-9 molecular structure
click picture or here to close

methyl imidazo[1,5-a]pyridine-7-carboxylate

ChemBase ID: 241399
Molecular Formular: C9H8N2O2
Molecular Mass: 176.17202
Monoisotopic Mass: 176.05857751
SMILES and InChIs

SMILES:
n12c(cc(cc1)C(=O)OC)cnc2
Canonical SMILES:
COC(=O)c1ccn2c(c1)cnc2
InChI:
InChI=1S/C9H8N2O2/c1-13-9(12)7-2-3-11-6-10-5-8(11)4-7/h2-6H,1H3
InChIKey:
ZJHLUKGFEIFPFL-UHFFFAOYSA-N

Cite this record

CBID:241399 http://www.chembase.cn/molecule-241399.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl imidazo[1,5-a]pyridine-7-carboxylate
IUPAC Traditional name
methyl imidazo[1,5-a]pyridine-7-carboxylate
Synonyms
methyl imidazo[1,5-a]pyridine-7-carboxylate
CAS Number
1377829-50-9
MDL Number
MFCD20526488
PubChem SID
164297309
PubChem CID
12132798

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12132798 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.1631183  LogD (pH = 7.4) 0.18266192 
Log P 0.41488263  Molar Refractivity 48.362 cm3
Polarizability 18.385345 Å3 Polar Surface Area 43.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
93 - 95°C expand Show data source
Hydrophobicity(logP)
1.431 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle